1313-0852 Screening compound: ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

1313-0852 Screening compound: ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
1313-0852 Screening compound: ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1313-0852
ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1313-0852

Molecular Formula

C14H19NO5 (C14 H19 NO5)

Compound Name

ethyl 5-(3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-(3-ethoxy-3-oxopropanoyl)-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(CC(c1c(C)c(C(OCC)=O)c(C)[nH]1)=O)=O

InChI

InChI=1S/C14H19NO5/c1-5-19-11(17)7-10(16)13-8(3)12(9(4)15-13)14(18)20-6-2/h15H,5-7H2,1-4H3

InChI Key

DIQGPRUTKMOZHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00706460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.818

Distribution Coefficient, logD

1.815

Water Solubility, LogSw

-1.57

Polar Surface Area

65.379

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

1313-0852 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1313-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1313-0852?
Check Price and Availability of 1313-0852, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1313-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1313-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1313-0852
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1313-0852 available by request